TL;DR: Bombesin(6-14), Tpi(6)-Leu(13)-psi(CH2N)-Tpi(14)- (CAS 142824-94-0) is a chemical compound with molecular formula C62H78N16O9 and molecular weight 1190.6138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-2-[[1-(3-carbamoyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonylamino)pentanediamide
Also Known As: RC 3440, Bombesin(6-14), tpi(6)-leu(13)-psi(CH2N)-tpi(14)-, Tpi(6)-leu(13)-psi(CH2N)-tpi(14)-bombesin (6-14), (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-2-[[1-(3-carbamoyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonylamino)pentanediamide, L-Histidinamide, N2-((2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-3-yl)carbonyl)-L-glutaminyl-L-tryptophyl-L-alanyl-L-valylglycyl-N-(1-((3-(aminocarbonyl)-1,3,4,9-tetrahydro-2H-pyrido(3,4-b)indol-2-yl)methyl)-3-methylbutyl)-, (1(S),6(S-(R*,R*)))-
| Molecular Formula | C62H78N16O9 |
| Molecular Weight | 1190.6138 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 381.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 27 |
| Exact Mass | 1190.6138 Da |
| Heavy Atoms | 87 |
| Complexity | 2440.0 |
| SMILES | C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NC(=O)[C@H](CC1=CN=CN1)NC(CC(C)C)CN2CC3=C(CC2C(=O)N)C4=CC=CC=C4N3)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCC(=O)N)NC(=O)C7CC8=C(CN7)NC9=CC=CC=C89 |
| InChIKey | UTQOEYKHLSITGO-KETCIOGWSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bombesin(6-14), Tpi(6)-Leu(13)-psi(CH2N)-Tpi(14)-. The TPSA of 381.0 Ų indicates high polarity, suggesting Bombesin(6-14), Tpi(6)-Leu(13)-psi(CH2N)-Tpi(14)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bombesin(6-14), Tpi(6)-Leu(13)-psi(CH2N)-Tpi(14)- has 14 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bombesin(6-14), Tpi(6)-Leu(13)-psi(CH2N)-Tpi(14)- is 142824-94-0.
The molecular formula of Bombesin(6-14), Tpi(6)-Leu(13)-psi(CH2N)-Tpi(14)- is C62H78N16O9.
The molecular weight of Bombesin(6-14), Tpi(6)-Leu(13)-psi(CH2N)-Tpi(14)- is 1190.6138 g/mol.
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